![[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate structure](/static/products/1261/126145-79-7.webp)
[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate
TL;DR: [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate (CAS 126145-79-7) is a chemical compound with molecular formula C58H87N3O21 and molecular weight 1161.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate
Also Known As: [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate|alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-((2-hydroxyethyl)amino)-11,29-dioxoolean-12-en-3-yl N-(2-hydroxyethyl)-2-O-(2,3,4-tri-O-acetyl-N-(2-hydroxyethyl)-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate|[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetat|(2R,3R,4S,5S,6S)-2-(((2S,3R,4S,5S,6S)-4,5-diacetoxy-6-(heptadecylcarbamoyl)-2-(((3S,6aR,6bS,8aS,11S,14bS)-11-(heptadecylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(heptadecylcarbamoyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
| Molecular Formula | C58H87N3O21 |
|---|---|
| Molecular Weight | 1161.58 g/mol |
| LogP | 2.1713 |
| Topological Polar Surface Area | 333.48 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Exact Mass | 1161.5833 |
| Heavy Atoms | 82 |
| Complexity | 2504.72 |
Chemical Identifiers
| CAS Number | 126145-79-7 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)NCCO)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)NCCO)C)C)C)C)C(=O)NCCO)OC(=O)C)OC(=O)C |
Product Overview
[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate (CAS 126145-79-7), with molecular formula C58H87N3O21 and molecular weight 1161.58 g/mol. IUPAC: [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate.
Chemical Property Profile of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate
Property Insights of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate
The XLogP value of 2.1713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate. The TPSA of 333.48 Ų indicates high polarity, suggesting [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate has 6 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate?
The CAS number of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate is 126145-79-7.
What is the molecular formula of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate?
The molecular formula of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate is C58H87N3O21.
What is the molecular weight of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate?
The molecular weight of [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate is 1161.58 g/mol.
Where can I buy [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate?
You can request a quote for [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(2-hydroxyethylcarbamoyl)-2-[[11-(2-hydroxyethylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(2-hydroxyethylcarbamoyl)oxan-4-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.